@TOME V2.3
(Nov 2016)
Ref.
-
-
Doc.
Global output mode :
Sort entries by :
Atome Result
Tools Result
PDB occurence
Core Structure Cluster
Sequence Color type :
Secondary Structure
Hydrophobicity
Disulfide Bonds
TCoffee Identity Score
Uniprot annotation
Core Structure Cluster
Contacts with Ligands
Show alignment :
Atome selection
All alignments
Only Template with Ligand
Column output:
Score:
Atome Rank Value
Tools Score
Hide column
Alignment:
Sequence Identity (%)
Tcoffee Alignment Score
Hide column
3D Common Core:
Tito PKB Score
Verify3D Score
QMean Score
Hide column
Structural Clustering:
Cluster Num
3D-Jury Struct. Score
Hide column
Modeller Result :
Model Rank
QMean Score
Dfire Score
Dope Score
Errat Score
Verify3D Score
Modeller Score
Hide column
Complexes Modeling
Show Ligands of Templates
Complexes Affinity Score
Main Binding Site Identity
Hide column
Templates Information:
Uniprot entry
Cath class
Scop class
Smart class
Prosite class
Pfam class
EC Number
Taxonomy
Experiment Method
Hide column
Sequence & Result Tab:
PDB Template Sequence
Complexes Tab
Values color: [
Good
|
Correct
|
Middling
|
Bad
]
Sequence color :
Mutated
Helix
Strand
Conserved
Query sequence : C5AR2_HUMAN: (2016-01-09 )
MGNDSVSYEYGDYSDLSDRPVDCLDGACLAIDPLRVAPLPLYAAIFLVGVPGNAMVAWVAGKVARRRVGATWLLHLAVADLLCCLSLPILAVPIARGGHWPYGAVGCRALPSIILLTMYASVLLLAALSADLCFLALGPAWWSTVQRACGVQVACGAAWTLALLLTVPSAIYRRLHQEHFPARLQCVVDYGGSSSTENAVTAIRFLFGFLGPLVAVASCHSALLCWAARRCRPLGTAIVVGFFVCWAPYHLLGLVLTVAAPNSALLARALRAEPLIVGLALAHSCLNPMLFLYFGRAQLRRSLPAACHWALRESQGQDESVDSKKSTSHDLVSEMEV
Atome Classification :
(20 SA)
-.........10.......-.20......--..30........40.........-----------50........60-.-.-...-..-.---.-70-...-.....80....-.-...90........100.......110.......120.......130.......140...---....150.......160.......170-.......-180-...--....190------------..--.-.....200.-...---..--.210.......220-------------...------.---------------.----------------...---------------.230--------------------------------------------------------------------------------------------------------------------------------------------------------------------..--.------....240----...-----------------......250..--------...-..----260.---..------------.------...270....----------..-------..280.......290--...-....300.------.......-.--310.......-----320.......330.....--------------------------------------------------------------------------------------------------------------------------------------
(Atome)
(Ident)
(Tito)
(Num)
(Ligand)
(Uniprot)
-MGND
S
V
S
Y
EYGDYSDLSD-RPVDCLDG
A
--
C
L
A
IDPLRVA
P
L
P
-
L
Y
A
A
I
F
L
VG-----------VPGN
A
M
V
A
W
V
A
--
G
-
K
-
V
A
R
-
R
R-V---
G
-
A
T
-
W
L
L
-
H
L
A
V
A
D
L
L
C
C
L-S-L
P
I
L
A
V
P
IARGGHWPYGA
V
G
C
R
A
L
P
S
I
I
L
L
T
M
Y
A
S
V
L
L
L
A
A
L
SA
D
L
C
F
L
AL
G
P
A
W
W
S
T
V
---
Q
R
ACG
V
Q
VACG
A
A
W
T
L
A
L
L
L
T
V
P
S
A
I
Y
-
R
R
L
H
Q
EH-FP
A
-
R
L
Q
--
C
V
V
DYG-------------GS--S-ST
E
N
A
V
T
A
I
-
R
F
L
---
F
G
--
F
L
G
P
L
V
A
V
A
S
C
H
---------------
S
A
L
------
L
---------------
C
----------------
W
A
A
---------------
R
RCR--------------------------------------------------------------------------------------------------------------------------------------------------------------------P
L
--
G
------
T
A
I
V
V
------
G
F
F
-----------------
V
C
W
A
P
Y
H
L
L
G
L
--------
V
L
T-VA----AP
N
S
---
A
L
------------
L
------
A
R
A
L-RAE
P
L
----------
I
V
-------
G
L
A
L
A
H
S
C
L
N
P
M
L
F
L
--
Y
F
G
-
R
A
Q
L
R
--
R
------SL
P
A
A
C
H
-
W
--
A
L
RESQGQDE-----SVDSKKST
S
H
D
L
V
S
EMEV--------------------------------------------------------------------------------------------------------------------------------------
1
PsiBlast_PDB
87.94
26%
-170
- C3 -
4EA3
3
C562_ECOLX (first)
A:
[124-398]
-------------------------------------
L
K
V
T
I
V
G
-
L
Y
L
A
V
C
V
G
G
-----------
L
L
G
N
C
L
V
M
Y
V
I
--
L
-
R
-
H
T
K
-
M
K
-
T
---
A
-
T
N
I
Y
I
F
-
N
L
A
L
A
D
T
L
V
L
L
-
T
-
L
P
F
Q
G
T
D
I
L
L
G
-
F
W
P
F
G
N
A
L
C
K
T
V
I
A
I
D
Y
Y
N
M
F
T
S
T
F
T
L
T
A
M
S
V
D
R
Y
V
A
I
C
H
P
----------
T
S
S
K
A
Q
A
V
N
V
A
I
W
A
L
A
S
V
V
G
V
P
V
A
I
M
-
G
S
A
Q
V
E
D
---
E
-
E
I
E
--
C
L
V
E
I
P
-------------
T
P
--
Q
-
D
Y
W
G
P
V
F
A
I
C
I
F
L
---
F
S
--
F
I
V
P
V
L
V
I
S
V
C
Y
---------------
S
L
M
------
I
R
R
L
RGVRLLSGSREK
D
----------------
R
N
L
---------------
R
R
I
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
L
--
V
------
L
V
V
V
A
------
V
F
V
-----------------
G
C
W
T
P
V
Q
V
F
V
L
--------
A
Q
G
-
L
G
V---
Q
P
S
S
---
E
T
------------
A
------
V
A
I
L
-
R
---
F
----------
C
T
-------
A
L
G
Y
V
N
S
C
L
N
P
I
L
Y
A
--
F
L
D
-
E
N
F
K
A
--
C
------
F
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
11
PsiBlast_PDB
86.18
24%
-157
- C3 -
4RWA
2
C562_ECOLX (first)
A:
[121-406]
-------------------------------------
L
A
I
A
I
T
A
-
L
Y
S
A
V
C
A
V
G
-----------
L
L
G
N
V
L
V
M
F
G
I
--
V
-
R
-
Y
T
K
-
M
K
-
T
---
A
-
T
N
I
Y
I
F
-
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
V
T
R
P
R
D
---
G
-
A
V
V
--
C
M
L
Q
F
P
-------------
S
P
--
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
L
---
F
A
--
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
LLG---------
S
K
E
------
K
---------------
D
----------------
R
S
L
---------------
R
R
I
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
M
--
V
------
L
V
V
V
G
------
A
F
V
-----------------
V
C
W
A
P
I
H
I
F
V
I
--------
V
W
T
-
L
V
----
D
I
D
------------------------------
R
R
D
P
L
----------
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
--
F
L
D
-
E
-
N
F
K
--
R
------
C
F
R
Q
L
C
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
12
PsiBlast_PDB
85.53
24%
-158
- C3 -
4RWD
7
C562_ECOLX (first)
A:
[121-406]
-------------------------------------
L
A
I
A
I
T
A
-
L
Y
S
A
V
C
A
V
G
-----------
L
L
G
N
V
L
V
M
F
G
I
--
V
-
R
-
Y
T
K
-
M
K
-
T
---
A
-
T
N
I
Y
I
F
-
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
V
T
R
P
R
D
---
G
-
A
V
V
--
C
M
L
Q
F
P
-------------
S
P
--
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
L
---
F
A
--
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
RLLSG
S
K
E
------
K
---------------
D
----------------
R
S
L
---------------
R
R
I
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
M
--
V
------
L
V
V
V
G
------
A
F
V
-----------------
V
C
W
A
P
I
H
I
F
V
I
--------
V
W
T
-
L
V
----
D
I
D
------------------------------
R
R
D
P
L
----------
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
--
F
L
D
-
E
-
N
F
K
--
R
------
C
F
R
Q
L
C
----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
26
HHSearch
85.31
22%
-151
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[41-496]
-------------------------------
E
E
N
A
N
F
N
K
I
F
L
P
T
-
I
Y
S
I
I
F
L
T
G
-----------
I
V
G
N
G
L
V
I
L
V
M
--
G
-
Y
Q
K
K
L
-
R
S
-
M
---
T
-
D
K
-
Y
R
L
-
H
L
S
V
A
D
L
L
F
V
I
-
T
-
L
P
F
W
A
V
D
A
V
--
A
N
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
-
A
N
V
S
E
A
---
D
D
-
R
Y
I
--
C
D
R
F
Y
P
-------------
N
D
----
L
W
V
V
V
F
Q
F
Q
-
H
I
M
---
V
G
--
L
I
L
P
G
I
V
I
L
S
C
Y
---------------
C
I
I
------
I
---------------
S
----------------
K
L
S
---------------
H
S
G
S
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
IGRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKLK
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KRW
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
--
K
------
R
K
A
L
K
------
T
T
V
-----------------
I
L
I
L
A
F
F
A
C
W
L
--------
P
Y
Y
-
I
G
----
I
S
I
D
---
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
------
N
T
V
H
-
K
W
I
S
I
----------
T
E
-------
A
L
A
F
F
H
C
C
L
N
P
I
L
Y
A
--
F
L
G
-
A
K
F
K
T
S
A
Q
------
H
A
L
T
S
G
R
-
P
--
L
E
V
L
F
Q
-----------------------------------------------------------------------------------------------------------------------------------------------------------------
13
PsiBlast_PDB
84.57
24%
-158
- C3 -
4N6H
23
C562_ECOLX (first)
A:
[124-410]
-------------------------------------
L
A
I
A
I
T
A
-
L
Y
S
A
V
C
A
V
G
-----------
L
L
G
N
V
L
V
M
F
G
I
--
V
-
R
-
Y
T
K
-
M
K
-
T
---
A
-
T
N
I
Y
I
F
-
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
A
K
Y
L
M
E
T
-
W
P
F
G
E
L
L
C
K
A
V
L
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
T
M
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
A
K
A
K
L
I
N
I
C
I
W
V
L
A
S
G
V
G
V
P
I
M
V
M
-
A
V
T
R
P
R
D
---
G
-
A
V
V
--
C
M
L
Q
F
P
-------------
S
P
--
S
-
W
Y
W
D
T
V
T
K
I
C
V
F
L
---
F
A
--
F
V
V
P
I
L
I
I
T
V
C
Y
G
L
M
L
L
R
L
R
S
V
RLLSG
S
K
E
------
K
---------------
D
----------------
R
S
L
---------------
R
R
I
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
M
--
V
------
L
V
V
V
G
------
A
F
V
-----------------
V
C
W
A
P
I
H
I
F
V
I
--------
V
W
T
-
L
V
----
D
I
D
------------------------------
R
R
D
P
L
----------
V
V
A
A
L
H
L
C
I
A
L
G
Y
A
N
S
S
L
N
P
V
L
Y
A
--
F
L
D
-
E
-
N
F
K
--
R
------
C
F
R
Q
L
C
R
-
K
--
P
C
G
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
2
PsiBlast_PDB
84.51
26%
-178
- C3 -
4XT1
14
US28_HCMVA
A:
[45-310]
------------------------------------------
L
F
-
L
Y
G
V
V
F
L
F
G
-----------
S
I
G
N
F
L
V
I
F
T
I
--
T
----
W
R
-
R
R
-
I
QC
S
G
-
D
V
-
Y
F
I
-
N
L
A
A
A
D
L
L
F
V
C
-
T
-
L
P
L
W
M
Q
Y
L
L
--
D
-----
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
-
Y
Y
A
I
V
Y
M
R
Y
R
P
V
---
K
Q
A
C
L
F
S
I
F
---
W
W
I
F
A
V
I
I
A
I
P
H
F
M
V
-
V
T
K
K
D
N
--------
Q
--
C
M
T
D
Y
D
-------------
Y
L
--
E
-
V
S
Y
P
I
I
L
N
V
-
E
L
M
---
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
---------------
Y
R
I
S
-----
R
---------------
I
----------------
V
A
V
---------------
S
Q
S
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
--
G
R
I
V
R
V
L
I
A
V
V
L
------
V
F
I
-----------------
I
F
W
L
P
Y
H
L
T
L
F
--------
V
D
T
-
L
K
L
L
KW
I
S
S
S
---
C
E
------------
F
------
E
R
S
L
K
R
A
L
I
L
----------
T
E
-------
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
--
F
V
G
--
T
K
F
R
--
Q
------
E
L
H
C
L
L
A
-
E
--
F
R
---------------------------------------------------------------------------------------------------------------------------------------------------------------------
3
PsiBlast_PDB
83.99
26%
-175
- C3 -
4XT3
2
US28_HCMVA
A:
[45-310]
------------------------------------------
L
F
-
L
Y
G
V
V
F
L
F
G
-----------
S
I
G
N
F
L
V
I
F
T
I
--
T
----
W
R
-
R
R
-
I
QC
S
G
-
D
V
-
Y
F
I
-
N
L
A
A
A
D
L
L
F
V
C
-
T
-
L
P
L
W
M
Q
Y
L
L
--
D
H
---
A
S
V
P
C
T
L
L
T
A
C
F
Y
V
A
M
F
A
S
L
C
F
I
T
E
I
A
L
D
R
-
Y
Y
A
I
V
Y
M
R
Y
R
P
V
---
K
Q
A
C
L
F
S
I
F
---
W
W
I
F
A
V
I
I
A
I
P
H
F
M
V
-
V
T
K
K
D
N
--------
Q
--
C
M
T
D
Y
D
-------------
Y
L
--
E
-
V
S
Y
P
I
I
L
N
V
-
E
L
M
---
L
G
A
-
F
V
I
P
L
S
V
I
S
Y
C
Y
---------------
Y
R
I
S
-----
R
---------------
I
----------------
V
A
V
---------------
S
Q
S
R
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
H
K
--
G
R
I
V
R
V
L
I
A
V
V
L
------
V
F
I
-----------------
I
F
W
L
P
Y
H
L
T
L
F
--------
V
D
T
-
L
K
L
L
KW
I
S
S
S
---
C
E
------------
F
------
E
R
S
L
K
R
A
L
I
L
----------
T
E
-------
S
L
A
F
C
H
C
C
L
N
P
L
L
Y
V
--
F
V
G
--
T
K
F
R
--
Q
------
E
L
H
C
L
L
A
-
E
-------------------------------------------------------------------------------------------------------------------------------------------------------------------------
43
Fugue
82.28
18%
-108
- C3 -
1U19
15
OPSD_BOVIN
A:
[4-349]
-
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
-
V
V
R
S
P
F
E
A
P
QY
Y
L
A
E
P
W
Q
F
S
M
L
A
A
-
Y
M
F
L
L
I
M
L
G
-----------
F
P
I
N
F
L
T
L
Y
V
T
--
V
-
Q
-
H
K
K
L
R
T
-
P
---
L
-
N
Y
-
I
L
L
-
N
L
A
V
A
D
L
F
M
V
F
-
G
-
G
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
M
S
-
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
----
W
S
R
Y
-
I
P
E
-
G
M
Q
C
S
C
G
I
D
Y
Y
-------------
T
P
--
H
-
E
E
T
N
N
E
S
F
V
-
I
Y
M
---
F
V
VH
F
I
I
P
L
I
V
I
F
F
C
Y
---------------
G
Q
L
------
V
---------------
F
TVKEAAAQQQESA
T
T
Q
K
A
E
---------------
K
E
V
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
M
--
V
------
I
I
M
V
I
------
A
F
L
-----------------
I
C
W
L
P
Y
--
A
G
V
--------
A
F
Y
-
I
F
----
T
H
Q
G
---
S
D
------------
F
------
G
P
I
F
-
M
T
I
P
A
----------
F
F
-------
A
K
T
S
A
--
V
Y
N
P
V
I
Y
I
--
M
M
--
N
K
Q
F
R
--
N
------
C
M
V
T
T
L
--
C
--
C
G
K
N
P
L
G
D
D
E
-----
A
S
T
T
V
S
K
T
E
T
S
Q
V
A
P
A
----------------------------------------------------------------------------------------------------------------------------------------
14
PsiBlast_PDB
82.28
20%
-171
- C3 -
5C1M
7
?
A:
[18-294]
---------------------------------------
I
T
I
M
A
-
L
Y
S
I
V
C
V
V
G
-----------
L
F
G
N
F
L
V
M
Y
V
I
--
V
-
R
-
Y
T
K
-
M
K
-
T
---
A
-
T
N
I
Y
I
F
-
N
L
A
L
A
D
A
L
A
T
S
-
T
-
L
P
F
Q
S
V
N
Y
L
M
G
T
-
W
P
F
G
N
I
L
C
K
I
V
I
S
I
D
Y
Y
N
M
F
T
S
I
F
T
L
C
T
M
S
V
D
R
Y
I
A
V
C
H
P
V
K
A
L
D
F
---
R
T
P
R
N
A
K
I
V
N
V
C
N
W
I
L
S
S
A
I
G
L
P
--
V
M
-
F
M
A
T
T
K
Y
-
R
Q
G
-
S
I
D
--
C
T
L
T
F
S
-------------
H
P
--
T
W
Y
W
E
N
L
L
K
I
C
-
V
F
I
---
F
A
--
F
I
M
P
V
L
I
I
T
V
C
Y
---------------
G
L
M
------
I
---------------
L
----------------
R
L
K
S
VRMLSGS
K
E
K
D
R
N
L
R
R
I
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
M
--
V
------
L
V
V
V
A
------
V
F
I
-----------------
V
C
W
T
P
I
H
I
Y
V
I
--------
I
K
A
L
I
T
----
I
P
E
T
---
T
F
------------
Q
------
T
V
S
W
-
H
---
F
----------
C
I
-------
A
L
G
Y
T
N
S
C
L
N
P
V
L
Y
A
--
F
L
D
-
E
N
F
K
R
--
C
------
F
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
46
Fugue
80.64
18%
-120
- C3 -
4XNV
15
P2RY1_HUMAN (first)
A:
[38-382]
---------------------
S
F
K
C
A
------
L
T
K
T
G
F
Q
F
Y
Y
L
P
A
V
Y
I
L
V
F
I
I
G
-----------
F
L
G
N
S
V
A
I
W
M
F
--
V
-
F
-
H
M
K
-
P
W
-
S
---
G
I
S
V
-
Y
M
F
-
N
L
A
L
A
D
F
L
Y
V
L
-
T
-
L
P
A
L
I
F
Y
Y
F
N
K
T
D
W
I
F
G
D
A
M
C
K
L
Q
R
F
I
F
H
V
N
L
Y
G
S
I
L
F
L
T
C
I
S
A
H
R
Y
S
G
V
V
Y
P
K
S
L
G
R
L
---
K
K
K
N
A
I
C
I
S
V
-
L
V
W
L
I
V
V
V
A
I
S
P
I
L
F
Y
-
S
G
T
G
V
R
K
--
N
K
-
T
I
T
--
C
Y
D
T
T
S
-------------
D
E
--
Y
-
L
R
S
Y
F
I
Y
S
M
-
C
T
T
---
V
A
M-
F
C
V
P
L
V
L
I
L
G
C
Y
---------------
G
L
I
------
V
---------------
R
----------------
A
L
I
---------------
Y
K
M
K
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
K
---
Y
------
T
C
T
V
C
------
G
Y
I
Y
N
PEDGDPDNGVNPGTD
F
K
D
I
V
C
P
L
C
G
V
--------
G
K
D
-
Q
F
----
E
E
V
E
---
E
P
------------
L
------
R
R
K
S
-
I
Y
L
V
I
----------
I
V
-------
L
T
V
F
A
V
S
Y
I
P
F
H
V
M
K
--
T
M
N
L
R
A
R
L
D
--
F
------
Q
T
P
A
M
C
A
-
F
N
D
R
V
Y
A
T
Y
Q
V
T
R
-----
G
L
A
S
L
N
S
C
V
N
P
I
L
Y
F
L
A
G
DTFRRR--------------------------------------------------------------------------------------------------------------------------------
36
HHSearch
80.15
18%
-158
- C3 -
3PBL
2
DRD3_HUMAN (first)
A:
[41-464]
-----------------------------------------
Y
A
L
-
S
Y
C
A
L
I
L
A
I
-----------
V
F
G
N
G
L
V
C
M
A
V
--
L
-
K
E
R
A
L
-
Q
T
-
T
---
T
-
N
Y
-
L
V
V
-
S
L
A
V
A
D
L
L
V
A
T
L
V
-
M
P
W
V
V
Y
L
E
V
T
G
G
V
W
N
F
S
R
I
C
C
D
V
F
V
T
L
D
V
M
M
C
T
A
S
I
W
N
L
C
A
I
S
I
D
R
Y
T
A
V
V
M
P
V
H
Y
Q
H
G
T
G
Q
S
S
C
R
R
V
A
L
M
I
T
A
V
W
V
L
A
F
A
V
S
C
P
L
L
F
G
-
F
N
T
T
-----
G
D
-
P
T
V
--
C
S
I
S
N
-----------------------
P
D
F
V
I
Y
-
S
S
V
---
V
S
--
F
Y
L
P
F
G
V
T
V
L
V
Y
---------------
A
R
I
------
Y
---------------
V
----------------
V
L
K
---------------
Q
R
R
R
K
N
I
F
E
M
L
R
I
D
E
GLRL
K
I
Y
K
D
TEG
Y
Y
T
I
G
IGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
T
GTWDAYGVP
L
R
--
E
------
K
K
A
T
Q
------
M
V
A
-----------------
I
V
L
G
A
F
I
V
C
W
L
--------
P
F
F
-
L
T
----
H
V
L
N
---
T
H
CQT---------
C
------
H
V
S
P
-
E
L
Y
S
A
----------
T
T
-------
W
L
G
Y
V
N
S
A
L
N
P
V
I
Y
T
--
T
F
N
-
I
E
F
R
K
--
A
------
F
L
K
I
L
S
C
---------------------------------------------------------------------------------------------------------------------------------------------------------------------------
47
Fugue
80.06
20%
-151
- C2 -
4UZ1
5
NOTUM_HUMAN
A:
[9-375]
---
N
E
D
L
R
L
H
L
-----
L
L
N
-
T
S
V
T
C
N
D
G
S
---
P
A
G
Y
Y
L
K
E
S
R
G
S
-
R
R
W
L
L
F
L
E
G
G
W
YCFN
R
E
N
C
D
S
R
Y
D
T
M
R
R
L
M
S
--
S
-
R
-
D
W
P
-
R
T
-
R
---
T
-
G
T
-
G
I
L
-
S
S
Q
P
E
E
N
P
Y
W
W
-
N
-
A
N
M
V
F
I
P
Y
C
S
S
D
V
W
S
-
G
A
S
S
K
S
E
K
N
E
Y
A
F
M
----
G
A
L
I
I
Q
E
V
V
R
E
L
L
G
R
G
L
S
G
A
------------
K
V
L
L
L
A
G
S
S
A
G
G
T
G
V
L
L
N
V
D
R
V
A
-
E
Q
L
E
K
L
G
-
Y
P
A
I
Q
V
R
--
G
L
A
D
S
G
WFLDNKQYRHTDC
V
D
--
T
-
I
T
C
A
P
T
E
A
I
-
R
R
G
---
I
R
--
Y
W
N
G
V
V
P
-
E
R
C
R
---------------
R
Q
F
QEGEEW
N
---------------
C
----------------
F
F
G
---------------
Y
K
V
Y
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
P
T
LR
S
------
P
V
F
V
V
------
Q
W
L
-----------------
F
D
E
A
Q
L
T
V
D
N
V
--------
H
L
P
-
V
Q
----
E
G
L
R
L
Y
I
Q
N
------------
L
------
G
R
E
L
-
R
H
T
L
K
----------
D
V
-------
P
A
S
F
A
P
A
C
L
S
H
E
I
I
I
RS
H
W
T
-
D
V
Q
V
K
G-
T
------
S
L
P
R
A
L
H
C
W
--
D
R
S
L
H
K
T
P
L
K
GCPV
H
L
V
D
S
C
P
W
P
-
H
C
N
P
S
C
P
T
G
--------------------------------------------------------------------------------------------------------------------------------------
30
HHSearch
78.35
18%
-143
- C3 -
2RH1
16
ADRB2_HUMAN (first)
A:
[39-477]
-------------------------------------
W
V
V
G
M
G
I
-
V
M
S
L
I
V
L
A
I
-----------
V
F
G
N
V
L
V
I
T
A
I
--
A
-
K
F
E
R
L
-
Q
T
-
V
---
T
-
N
Y
-
F
I
T
-
S
L
A
C
A
D
L
V
M
G
L
A
V
-
V
P
F
G
A
A
H
I
L
M
-
K
M
W
T
F
G
N
F
W
C
E
F
W
T
S
I
D
V
L
C
V
T
A
S
I
E
T
L
C
V
I
A
V
D
R
Y
F
A
I
T
S
P
F
K
Y
Q
S
L
---
L
T
K
N
K
A
R
V
I
I
L
M
V
W
I
V
S
G
L
T
S
F
L
P
I
Q
M
H
W
Y
R
A
T
H
---
Q
E
-
A
I
N
--
C
Y
A
E
E
T
C------------
C
D
--
F
-
F
T
N
Q
A
Y
A
I
A
-
S
S
I
---
V
S
--
F
Y
V
P
L
V
I
M
V
F
V
Y
---------------
S
R
V
------
F
---------------
Q
----------------
E
A
K
---------------
R
Q
L
N
I
F
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
K
D
TEGYYTIGIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
N
A
K
L
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYKFC--
L
K
--
E
------
H
K
A
L
K
------
T
L
G
-----------------
I
I
M
G
T
F
T
L
C
W
L
--------
P
F
F
-
I
V
----
N
I
V
H
---
V
I
------------
Q
DN----
L
I
R
K
-
E
V
Y
I
L
----------
L
N
-------
W
I
G
Y
V
N
S
G
F
N
P
L
I
Y
C
---
R
S
-
P
D
F
R
I
A
F
Q
------
E
L
L
C
L
-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------
34
HHSearch
78.14
18%
-145
- C3 -
2KS9
1
NK1R_HUMAN
A:
[31-324]
-------------------------------------
Q
I
V
L
W
A
A
-
A
Y
T
V
I
V
V
T
S
-----------
V
V
G
N
V
V
V
M
W
I
I
--
L
A
H
-
K
R
M
-
R
T
-
V
---
T
-
N
Y
-
F
L
V
-
N
L
A
F
A
E
A
S
M
A
A
F
N
-
T
V
V
N
F
T
Y
A
V
-
H
N
E
W
Y
Y
G
L
F
Y
C
K
F
H
N
F
F
P
I
A
A
V
F
A
S
I
Y
S
M
T
A
V
A
F
D
R
Y
M
A
I
I
H
P
L
Q
P
R
L
-----
S
A
T
A
T
K
V
V
I
C
V
I
W
V
L
A
L
L
L
A
F
P
Q
G
Y
Y
-
S
T
T
E
T
M
---
P
S
-
R
V
V
--
C
M
I
E
W
P
-------------
E
H
PN
K
-
I
Y
E
K
V
Y
H
I
C
-
V
T
V
---
L
I
--
Y
F
L
P
L
L
V
I
G
Y
A
Y
---------------
T
V
V
------
G
---------------
I
----------------
T
L
W
---------------
A
S
E
I
PGDSSDRYH
E
Q
V
--------------------------------------------------------------------------------------------------------------------------------------------------------
S
A
--
K
------
R
K
V
V
K
------
M
M
I
-----------------
V
V
V
C
T
F
A
I
C
W
L
--------
P
F
H
-
I
F
----
F
L
L
P
---
Y
I
------------
N
PDLYLK
K
F
I
Q
-
Q
V
Y
L
A
----------
I
M
-------
W
L
A
M
S
S
T
M
Y
N
P
I
I
Y
C
--
C
L
N
-
D
R
F
R
L
G
F
K
------
H
A
F
R
C
C
P
-
F
--
I
S
A
G
D
Y
E
G
L
E
-----
M
K
S
T
R
Y
L
Q
T
Q
G
S
V
Y
K
V
S
R
--------------------------------------------------------------------------------------------------------------------------------------
52
Fugue
76.81
19%
-130
- C3 -
3ODU
6
CXCR4_HUMAN (first)
A:
[37-502]
-----------------------
P
C
F
R
E
E
----
N
A
N
F
N
K
I
F
L
P
T
-
I
Y
S
I
I
F
L
T
G
-----------
I
V
G
N
G
L
V
I
L
V
M
--
G
-
Y
-
Q
K
K
-
L
R
S
M
---
T
-
D
K
-
Y
R
L
-
H
L
S
V
A
D
L
L
F
V
I
-
T
-
L
P
F
W
A
V
D
A
V
A
N
--
W
Y
F
G
N
F
L
C
K
A
V
H
V
I
Y
T
V
N
L
Y
S
S
V
W
I
L
A
F
I
S
L
D
R
Y
L
A
I
V
H
A
T
N
S
Q
R
P
---
R
K
L
L
A
E
K
V
V
Y
V
G
V
W
I
P
A
L
L
L
T
I
P
D
F
I
F
-
A
N
V
S
E
A
D
-----
D
R
Y
--
I
C
D
R
F
Y
-------------
P
N
--
D
-
L
W
V
V
V
F
Q
F
Q
-
H
I
M
---
V
G
--
L
I
L
P
G
I
V
I
L
S
C
Y
---------------
C
I
I
------
I
---------------
S
----------------
K
L
S
---------------
H
S
G
S
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
N
I
--
F
------
E
M
L
R
I
D
E
G
L
R
L
K
I
Y
-----------------
K
D
T
E
G
Y
Y
T
I
G
I
--------
G
H
L
-
L
T
----
K
S
P
S
---
L
N
------------
A
------
A
K
S
E
-
L
D
K
A
I
GRNTNGVIT
K
D
E
-------
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
--
I
L
R
-
N
A
K
L
K
--
P
V
Y
D
S
LD
A
V
R
R
A
A
L
-
I
--
N
M
V
F
Q
M
G
E
T
G
-----
V
A
G
F
T
N
S
L
R
M
L
Q
Q
K
R
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYGSK
G
H
Q
K
R
K
A
L
K
T
T
V
I
L
I
L
A
F
F
A
C
W
L
P
Y
Y
I
G
I
S
I
D
S
F
I
L
L
EI
I
K
Q
G
C
E
F
E
N
T
V
H
K
W
I
S
I
T
E
A
L
A
F
FHCC
L
N
P
I
L
Y
AFLGAKFKTS
A
Q
H
A
L
TSGRPLEVLFQ
44
Fugue
76.42
16%
-119
- C3 -
1F88
8
OPSD_BOVIN
A:
[1-348]
M
N
G
T
E
G
P
N
F
Y
V
P
F
S
N
K
T
G
V
V
R
S
P
F
E
A
P
Q
Y
--
Y
L
A
E
P
W
Q
F
S
M
L
A
A
-
Y
M
F
L
L
I
M
L
G
-----------
F
P
I
N
F
L
T
L
Y
V
T
--
V
-
Q
-
H
K
K
-
L
R
-
T
---
P
-
L
N
-
Y
I
L
L
N
L
A
V
A
D
L
F
M
V
F
-
G
-
G
F
T
T
T
L
Y
T
S
L
H
G
Y
F
V
F
G
P
T
G
C
N
L
E
G
F
F
A
T
L
G
G
E
I
A
L
W
S
L
V
V
L
A
I
E
R
Y
V
V
V
C
K
P
-
M
S
N
F
R
---
F
G
E
N
H
A
I
M
G
V
A
F
T
W
V
M
A
L
A
C
A
A
P
P
L
V
G
----
W
S
R
Y
-
I
P
E
-
G
M
Q
C
S
C
G
I
D
Y
Y
-------------
T
P
--
H
-
E
E
T
N
N
E
S
F
V
-
I
Y
M
---
F
V
VH
F
I
I
P
L
I
V
I
F
F
C
Y
---------------
G
Q
L
------
V
---------------
F
TVKEAAASATTQ----
K
A
E
---------------
K
E
V
T
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
M
--
V
------
I
I
M
V
I
------
A
F
L
-----------------
I
C
W
L
P
Y
A
G
V
A
F
--------
Y
I
F
-
T
H
-----
Q
G
S
---
D
F
------------
G
------
P
I
F
M
-
T
I
P
A
F
----------
F
A
-------
K
T
S
A
V
---
Y
N
P
V
I
Y
I
--
M
M
--
N
K
Q
F
R
--
N
------
C
M
V
T
T
L
C
-
C
--
G
K
N
P
S
T
T
V
S
K
-----
T
E
T
S
Q
V
A
P
A
-----------------------------------------------------------------------------------------------------------------------------------------------
29
HHSearch
76.13
17%
-137
* C3 *
2Z73
5
OPSD_TODPA
A:
[28-324]
--------------------------------
Q
V
P
D
A
V
Y
Y
S
L
G
I
-
F
I
G
I
C
G
I
I
G
-----------
C
G
G
N
G
I
V
I
Y
L
F
--
T
-
K
T
K
S
L
-
Q
T
-
P
---
A
-
N
M
-
F
I
I
-
N
L
A
F
S
D
F
T
F
S
L
V
N
G
F
P
L
M
T
I
S
C
F
L
-
K
K
W
I
F
G
F
A
A
C
K
V
Y
G
F
I
G
G
I
F
G
F
M
S
I
M
T
M
A
M
I
S
I
D
R
Y
N
V
I
G
R
P
M
A
A
S
K
K
---
M
S
H
R
R
A
F
I
M
I
I
F
V
W
L
W
S
V
L
W
A
I
G
P
I
F
G
-
W
G
A
Y
T
L
E
--
G
V
-
L
C
N
--
C
S
F
D
Y
I
-------------
S
R
--
D
-
S
T
T
R
S
N
I
L
C
-
M
F
I
---
L
G
--
F
F
G
P
I
L
I
I
F
F
C
Y
---------------
F
N
I
------
V
---------------
M
----------------
S
V
S
---------------
N
H
E
K
E
M
A
A
M
A
K
RLNAKE
L
R
K
A
Q
A
G
A
-----------------------------------------------------------------------------------------------------------------------------------------------
N
A
--
E
------
M
R
L
A
K
------
I
S
I
-----------------
V
I
V
S
Q
F
L
L
S
W
S
--------
P
Y
A
-
V
V
----
A
L
L
A
---
Q
F
GPL---------
E
------
W
V
T
P
-
Y
A
A
Q
L
----------
P
V
-------
M
F
A
K
A
S
A
I
H
N
P
M
I
Y
S
--
V
S
H
-
P
K
F
R
E
--
A
------
I
S
Q
T
F
P
W
-
V
--
L
T
C
C
Q
F
D
D
K
E
-----
T
E
D
D
K
D
A
E
T
E
I
P
A
G
E
-----------------------------------------------------------------------------------------------------------------------------------------
27
HHSearch
76.07
17%
-143
- C3 -
3UON
4
ACM2_HUMAN (first)
A:
[23-457]
--------------------------------------
V
V
F
I
V
L
-
V
A
G
S
L
S
L
V
T
-----------
I
I
G
N
I
L
V
M
V
S
I
--
K
V
N
-
R
H
L
-
Q
T
-
V
---
N
-
N
Y
-
F
L
F
-
S
L
A
C
A
D
L
I
I
G
V
F
S
-
M
N
L
Y
T
L
Y
T
V
I
-
G
Y
W
P
L
G
P
V
V
C
D
L
W
L
A
L
D
Y
V
V
S
N
A
S
V
M
N
L
L
I
I
S
F
D
R
Y
F
C
V
T
K
P
L
T
Y
P
V
K
---
R
T
T
K
M
A
G
M
M
I
A
A
A
W
V
L
S
F
I
L
W
A
P
A
I
L
F
-
W
Q
F
I
V
G
V
R
T
V
E
-
D
G
E
--
C
Y
I
Q
F
F
--------------------
S
N
A
A
V
T
F
G
-
T
A
I
---
A
A
--
F
Y
L
P
V
I
I
M
T
V
L
Y
---------------
W
H
I
------
S
---------------
R
----------------
A
S
K
---------------
S
R
I
N
I
F
E
M
L
R
I
D
EGLRL
K
I
Y
K
D
TEG
Y
Y
T
I
GIGHLLTKSPS
L
N
A
A
K
S
E
L
D
K
A
I
GRNTNGVIT
K
D
E
A
E
K
L
F
N
Q
D
V
D
A
A
V
R
G
I
L
R
NAKL
K
P
V
Y
D
S
LD
A
V
R
R
A
A
L
I
N
M
V
F
Q
MG
E
T
G
V
A
G
F
T
N
S
L
R
M
L
Q
Q
KR
W
D
E
A
A
V
N
L
A
K
S
R
W
Y
N
Q
T
P
N
R
A
K
R
V
I
T
T
F
R
TGTWDAYPPP--
S
R
--
E
------
K
K
V
T
R
------
T
I
L
-----------------
A
I
L
L
A
F
I
I
T
W
A
--------
P
Y
N
-
V
M
----
V
L
I
N
---
T
F
------------
C
AP----
C
I
P
N
-
T
V
W
T
I
----------
G
Y
-------
W
L
C
Y
I
N
S
T
I
N
P
A
C
Y
A
--
L
C
N
-
A
T
F
K
K
T
F
K
------
H
L
L
M
------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4
PsiBlast_PDB
73.38
29%
-130
- C3 -
2LNL
-
CXCR1_HUMAN
A:
[46-310]
----------------------------------------------
Y
A
L
V
F
L
L
S
-----------
L
L
G
N
S
L
V
M
L
V
I
L
Y
S
-
R
-
V
G
--
R
S
-
V
---
T
-
D
V
-
Y
L
L
-
N
L
A
L
A
D
L
L
F
A
L
-
T
-
L
P
I
W
A
A
S
K
V
N
G
--
W
I
F
G
T
F
L
C
K
V
V
S
L
L
K
E
V
N
F
Y
S
G
I
L
L
L
A
C
I
S
V
D
R
-
Y
L
A
I
V
H
A
T
R
T
L
T
---
Q
K
R
H
L
V
K
F
V
C
L
G
C
W
G
L
S
M
N
L
S
L
P
F
F
L
F
-
R
---
Q
A
Y
-
H
P
N
-
N
S
S
--
P
V
C
Y
E
V
-------------
L
G
--
N
-
D
T
A
K
W
R
M
V
L
-
R
I
L
PHT
F
G
--
F
I
V
P
L
F
V
M
L
F
C
Y
---------------
G
F
T
------
L
R
TLFKAH--------
M
----------------
G
Q
K
---------------
H
R
A
M
--------------------------------------------------------------------------------------------------------------------------------------------------------------------
R
V
--
I
------
F
A
V
V
L
------
I
F
L
-----------------
L
C
W
L
P
Y
N
L
V
L
L
A
D
T
L
M
RTQ
V
I
Q
-
E
S
----
C
E
R
R
---
N
N
------------
I
------
G
R
A
L
-
D
A
T
E
I
--------------------
L
G
F
L
H
S
C
L
N
P
I
I
Y
A
--
F
I
G
-
Q
N
F
R
H
--
G
------
F
L
K
I
L
A
M
-
H
--
G
----------------------------------------------------------------------------------------------------------------------------------------------------------------------
32
HHSearch
72.51
16%
-147
- C3 -
3RZE
5
ENLYS_BPT4 (first)
A:
[9-435]
---------------------------------------
M
P
L
V
V
-
V
L
S
T
I
C
L
V
T
-----------
V
G
L
N
L
L
V
L
Y
A
V
--
R
S
E
-
R
K
L
-
H
T
-
V
---
G
-
N
L
-
Y
I
V
-
S
L
S
V
A
D
L
I
V
G
A
V
V
-
M
P
M
N
I
L
Y
L
L
M
-
S
K
W
S
L
G
R
P
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---------------------------------------------------------------------------------------------------------------------------------------------------------------------------